cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide

C21H37NO2 — CID 7054255

IUPACcis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1CC[C@@](C)(C(=O)N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C
InChIInChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3/t14-,15+,20-,21-/m0/s1
InChIKeyBHUKNCSDHSSDAL-YQMDMEMYSA-N
MW335.53 g/mol
LogP4.90
Rot. Bonds2

About cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide

cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide (PubChem CID 7054255) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide
PubChem CID7054255
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Namecis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1CC[C@@](C)(C(=O)N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C
InChIInChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3/t14-,15+,20-,21-/m0/s1
InChIKeyBHUKNCSDHSSDAL-YQMDMEMYSA-N
XLogP4.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide (CID 7054255) is cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide is C[C@@H]1CC[C@@](C)(C(=O)N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C.
What is the InChIKey of cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide?
The InChIKey is BHUKNCSDHSSDAL-YQMDMEMYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3/t14-,15+,20-,21-/m0/s1.
What are the key properties of cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide has a molecular weight of 335.53 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 7054255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).